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	hartrees
Energy at 0K	-214.873194
Energy at 298.15K
HF Energy	-214.677198
Nuclear repulsion energy	79.124550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3861	3861	41.65	66.33	0.30	0.46
2	A	3161	3161	42.20	67.18	0.48	0.65
3	A	3059	3059	71.62	102.02	0.14	0.24
4	A	1548	1548	3.76	6.97	0.74	0.85
5	A	1482	1482	41.46	5.57	0.75	0.86
6	A	1418	1418	15.06	5.49	0.74	0.85
7	A	1283	1283	7.49	6.83	0.72	0.84
8	A	1156	1156	142.68	3.62	0.26	0.41
9	A	1090	1090	100.18	1.48	0.51	0.67
10	A	1021	1021	144.01	3.39	0.52	0.68
11	A	552	552	42.39	1.93	0.61	0.76
12	A	404	404	116.97	4.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.511	0.048
F2	1.133	-0.309	-0.028
O3	-1.145	-0.216	-0.116
H4	0.068	1.012	1.019
H5	0.063	1.223	-0.773
H6	-1.250	-0.791	0.646

	C1	F2	O3	H4	H5	H6
C1		1.3899	1.3773	1.0941	1.0881	1.9099
F2	1.3899		2.2819	1.9938	2.0115	2.5229
O3	1.3773	2.2819		2.0658	1.9901	0.9610
H4	1.0941	1.9938	2.0658		1.8050	2.2638
H5	1.0881	2.0115	1.9901	1.8050		2.7918
H6	1.9099	2.5229	0.9610	2.2638	2.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.217	F2	C1	O3	111.107
F2	C1	H4	106.157	F2	C1	H5	107.916
O3	C1	H4	112.916	O3	C1	H5	107.073
H4	C1	H5	111.613

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)